#------------------------------------------------------------------------------
#$Date: 2024-04-06 02:41:21 +0300 (Sat, 06 Apr 2024) $
#$Revision: 291110 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/02/30/2023034.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2023034
loop_
_publ_author_name
'Abad, Nadeem'
'Mague, Joel T.'
'Alsubari, Abdulsalam'
'Essassi, El Mokhtar'
'Alzahrani, Abdullah Yahya Abdullah'
'Ramli, Youssef'
_publ_section_title
;
 Crystal structure and Hirshfeld surface analysis of
 3-phenyl-1-{3-[(3-phenyl-quinoxalin-2-yl)-oxy]prop-yl}-1,2-di-hydro-quinoxalin-2-one.
;
_journal_coeditor_code           VM2295
_journal_issue                   'Pt 3'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              300
_journal_page_last               304
_journal_paper_doi               10.1107/S2056989024001518
_journal_volume                  80
_journal_year                    2024
_chemical_formula_iupac          'C31 H24 N4 O2'
_chemical_formula_moiety         'C31 H24 N4 O2'
_chemical_formula_sum            'C31 H24 N4 O2'
_chemical_formula_weight         484.54
_chemical_name_systematic
;
3-Phenyl-1-{3-[(3-phenylquinoxalin-2-yl)oxy]propyl}-1,2-dihydroquinoxalin-2-one
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/1
_cell_angle_alpha                90.2620(10)
_cell_angle_beta                 96.6300(10)
_cell_angle_gamma                108.3950(10)
_cell_formula_units_Z            2
_cell_length_a                   8.8038(6)
_cell_length_b                   10.2277(7)
_cell_length_c                   14.0937(10)
_cell_measurement_reflns_used    8578
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      28.9647
_cell_measurement_theta_min      2.4567
_cell_volume                     1195.00(14)
_computing_cell_refinement
;
SAINT (Bruker, 2016)
;
_computing_data_collection
;
APEX3 (Bruker, 2016)
;
_computing_data_reduction
;
SAINT (Bruker, 2016)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg & Putz, 2012)
;
_computing_publication_material
;
SHELXTL (Sheldrick, 2008)
;
_computing_structure_refinement
;
SHELXL2018/1 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0286
_diffrn_reflns_av_unetI/netI     0.0356
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            22697
_diffrn_reflns_theta_full        28.000
_diffrn_reflns_theta_max         29.137
_diffrn_reflns_theta_min         2.100
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.086
_exptl_absorpt_correction_T_max  0.99
_exptl_absorpt_correction_T_min  0.84
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Krause et al., 2015)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.347
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             508
_exptl_crystal_size_max          0.413
_exptl_crystal_size_mid          0.336
_exptl_crystal_size_min          0.101
_refine_diff_density_max         0.395
_refine_diff_density_min         -0.223
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     430
_refine_ls_number_reflns         6292
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0609
_refine_ls_R_factor_gt           0.0454
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0859P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1212
_refine_ls_wR_factor_ref         0.1291
_reflns_number_gt                4672
_reflns_number_total             6292
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            vm2295sup1.cif
_cod_data_source_block           I
_cod_depositor_comments          'Adding full bibliography for 2023034.cif.'
_cod_database_code               2023034
_cod_database_fobs_code          2023034
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.965
_shelx_estimated_absorpt_t_max   0.991
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O O1 0.44841(10) 0.63740(8) 0.58310(5) 0.02992(19) Uani d 1 . .
O O2 0.83077(9) 0.71124(8) 0.31407(5) 0.02503(18) Uani d 1 . .
N N1 0.22753(10) 0.87022(9) 0.52543(6) 0.0235(2) Uani d 1 . .
N N2 0.43848(10) 0.75671(9) 0.44934(6) 0.02157(19) Uani d 1 . .
N N3 1.01284(10) 0.59246(9) 0.31524(6) 0.0239(2) Uani d 1 . .
H H3 0.3852(17) 1.0016(15) 0.1911(11) 0.051(4) Uiso d 1 . .
N N4 1.01195(11) 0.63096(9) 0.11706(6) 0.0258(2) Uani d 1 . .
C C1 0.37800(12) 0.84656(11) 0.39487(7) 0.0229(2) Uani d 1 . .
C C2 0.42362(15) 0.88805(12) 0.30498(8) 0.0301(3) Uani d 1 . .
H H2 0.5105(16) 0.8643(14) 0.2796(9) 0.036(3) Uiso d 1 . .
C C3 0.35202(16) 0.97177(13) 0.25365(9) 0.0362(3) Uani d 1 . .
C C4 0.23277(16) 1.01518(13) 0.28870(9) 0.0349(3) Uani d 1 . .
H H4 0.1835(16) 1.0778(14) 0.2494(10) 0.041(4) Uiso d 1 . .
C C5 0.19108(14) 0.97842(11) 0.37813(8) 0.0287(2) Uani d 1 . .
H H5 0.1082(17) 1.0078(14) 0.4048(9) 0.040(4) Uiso d 1 . .
C C6 0.26590(12) 0.89688(11) 0.43344(7) 0.0233(2) Uani d 1 . .
C C7 0.29185(12) 0.79293(10) 0.57833(7) 0.0211(2) Uani d 1 . .
C C8 0.39776(12) 0.72245(11) 0.53976(7) 0.0217(2) Uani d 1 . .
C C9 0.25817(12) 0.77893(11) 0.67950(7) 0.0229(2) Uani d 1 . .
C C10 0.17893(14) 0.86482(13) 0.71543(8) 0.0313(3) Uani d 1 . .
H H10 0.1495(15) 0.9312(13) 0.6724(9) 0.030(3) Uiso d 1 . .
C C11 0.14777(16) 0.85979(15) 0.80948(9) 0.0374(3) Uani d 1 . .
H H11 0.0946(18) 0.9227(16) 0.8322(11) 0.053(4) Uiso d 1 . .
C C12 0.19357(14) 0.76913(13) 0.87067(8) 0.0329(3) Uani d 1 . .
H H12 0.1671(15) 0.7634(13) 0.9406(9) 0.034(3) Uiso d 1 . .
C C13 0.27219(13) 0.68479(12) 0.83650(8) 0.0290(2) Uani d 1 . .
H H13 0.3018(16) 0.6197(14) 0.8811(10) 0.040(4) Uiso d 1 . .
C C14 0.30485(13) 0.68925(11) 0.74210(8) 0.0253(2) Uani d 1 . .
H H14 0.3544(16) 0.6243(14) 0.7217(9) 0.035(3) Uiso d 1 . .
C C15 0.54524(12) 0.68814(12) 0.41224(8) 0.0232(2) Uani d 1 . .
H H15A 0.5299(14) 0.6874(12) 0.3405(9) 0.025(3) Uiso d 1 . .
H H15B 0.5145(14) 0.5943(13) 0.4317(8) 0.024(3) Uiso d 1 . .
C C16 0.72111(12) 0.75993(12) 0.45135(8) 0.0239(2) Uani d 1 . .
H H16A 0.7551(14) 0.8581(14) 0.4330(9) 0.032(3) Uiso d 1 . .
H H16B 0.7306(14) 0.7557(12) 0.5222(9) 0.025(3) Uiso d 1 . .
C C17 0.83182(13) 0.68895(12) 0.41570(7) 0.0247(2) Uani d 1 . .
H H17A 0.9421(15) 0.7312(12) 0.4463(9) 0.028(3) Uiso d 1 . .
H H17B 0.7929(14) 0.5849(13) 0.4237(8) 0.028(3) Uiso d 1 . .
C C18 1.10461(13) 0.56007(11) 0.16404(8) 0.0253(2) Uani d 1 . .
C C19 1.19802(14) 0.50343(12) 0.11175(9) 0.0306(3) Uani d 1 . .
H H19 1.1921(16) 0.5151(14) 0.0421(10) 0.040(4) Uiso d 1 . .
C C20 1.28637(14) 0.42787(12) 0.15725(9) 0.0334(3) Uani d 1 . .
H H20 1.3517(17) 0.3897(14) 0.1214(10) 0.044(4) Uiso d 1 . .
C C21 1.28456(13) 0.40650(12) 0.25544(9) 0.0330(3) Uani d 1 . .
H H21 1.3445(16) 0.3504(14) 0.2869(9) 0.037(3) Uiso d 1 . .
C C22 1.19463(13) 0.46076(12) 0.30774(9) 0.0294(3) Uani d 1 . .
H H22 1.1904(15) 0.4469(13) 0.3764(9) 0.033(3) Uiso d 1 . .
C C23 1.10319(12) 0.53882(11) 0.26299(8) 0.0243(2) Uani d 1 . .
C C24 0.92400(12) 0.65636(11) 0.26811(7) 0.0221(2) Uani d 1 . .
C C25 0.91928(12) 0.67574(11) 0.16611(7) 0.0228(2) Uani d 1 . .
C C26 0.81246(13) 0.74470(11) 0.11251(7) 0.0234(2) Uani d 1 . .
C C27 0.65431(13) 0.72358(12) 0.13098(8) 0.0288(2) Uani d 1 . .
H H27 0.6113(15) 0.6636(13) 0.1822(9) 0.033(3) Uiso d 1 . .
C C28 0.55596(14) 0.78379(13) 0.07494(8) 0.0315(3) Uani d 1 . .
H H28 0.4445(16) 0.7639(13) 0.0886(9) 0.036(3) Uiso d 1 . .
C C29 0.61433(14) 0.86632(12) 0.00127(8) 0.0300(3) Uani d 1 . .
H H29 0.5435(15) 0.9110(13) -0.0411(9) 0.034(3) Uiso d 1 . .
C C30 0.77094(15) 0.88709(12) -0.01796(8) 0.0300(3) Uani d 1 . .
H H30 0.8131(15) 0.9449(13) -0.0704(9) 0.035(3) Uiso d 1 . .
C C31 0.86847(14) 0.82589(12) 0.03672(8) 0.0272(2) Uani d 1 . .
H H31 0.9791(16) 0.8377(13) 0.0246(9) 0.032(3) Uiso d 1 . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C24 O2 C17 . . 116.19(8) ?
C7 N1 C6 . . 120.18(9) ?
C8 N2 C1 . . 122.21(8) ?
C8 N2 C15 . . 115.91(8) ?
C1 N2 C15 . . 121.84(8) ?
C24 N3 C23 . . 116.53(9) ?
C25 N4 C18 . . 118.08(9) ?
N2 C1 C2 . . 123.22(10) ?
N2 C1 C6 . . 117.35(9) ?
C2 C1 C6 . . 119.43(10) ?
C3 C2 C1 . . 119.53(11) ?
C3 C2 H2 . . 118.9(7) ?
C1 C2 H2 . . 121.5(7) ?
C2 C3 C4 . . 121.45(11) ?
C2 C3 H3 . . 119.3(8) ?
C4 C3 H3 . . 119.2(8) ?
C5 C4 C3 . . 119.29(11) ?
C5 C4 H4 . . 121.2(8) ?
C3 C4 H4 . . 119.4(8) ?
C4 C5 C6 . . 120.49(11) ?
C4 C5 H5 . . 121.1(8) ?
C6 C5 H5 . . 118.4(8) ?
N1 C6 C5 . . 118.29(9) ?
N1 C6 C1 . . 122.12(9) ?
C5 C6 C1 . . 119.59(10) ?
N1 C7 C9 . . 117.64(9) ?
N1 C7 C8 . . 121.39(9) ?
C9 C7 C8 . . 120.97(9) ?
O1 C8 N2 . . 119.63(9) ?
O1 C8 C7 . . 124.16(9) ?
N2 C8 C7 . . 116.22(8) ?
C14 C9 C10 . . 117.79(10) ?
C14 C9 C7 . . 124.24(9) ?
C10 C9 C7 . . 117.93(9) ?
C11 C10 C9 . . 120.94(11) ?
C11 C10 H10 . . 120.7(7) ?
C9 C10 H10 . . 118.3(7) ?
C10 C11 C12 . . 120.62(11) ?
C10 C11 H11 . . 118.5(9) ?
C12 C11 H11 . . 120.9(9) ?
C13 C12 C11 . . 119.04(11) ?
C13 C12 H12 . . 120.4(7) ?
C11 C12 H12 . . 120.6(7) ?
C12 C13 C14 . . 120.89(11) ?
C12 C13 H13 . . 117.6(8) ?
C14 C13 H13 . . 121.5(8) ?
C13 C14 C9 . . 120.71(10) ?
C13 C14 H14 . . 116.8(8) ?
C9 C14 H14 . . 122.4(8) ?
N2 C15 C16 . . 111.24(9) ?
N2 C15 H15A . . 108.8(7) ?
C16 C15 H15A . . 110.8(7) ?
N2 C15 H15B . . 108.6(7) ?
C16 C15 H15B . . 108.8(7) ?
H15A C15 H15B . . 108.5(10) ?
C17 C16 C15 . . 111.90(9) ?
C17 C16 H16A . . 109.3(7) ?
C15 C16 H16A . . 110.2(7) ?
C17 C16 H16B . . 107.8(7) ?
C15 C16 H16B . . 107.8(7) ?
H16A C16 H16B . . 109.8(10) ?
O2 C17 C16 . . 106.67(8) ?
O2 C17 H17A . . 107.9(7) ?
C16 C17 H17A . . 110.4(7) ?
O2 C17 H17B . . 107.4(7) ?
C16 C17 H17B . . 112.7(7) ?
H17A C17 H17B . . 111.5(10) ?
N4 C18 C19 . . 119.25(10) ?
N4 C18 C23 . . 121.00(9) ?
C19 C18 C23 . . 119.71(10) ?
C20 C19 C18 . . 119.79(11) ?
C20 C19 H19 . . 121.9(8) ?
C18 C19 H19 . . 118.2(8) ?
C19 C20 C21 . . 120.47(11) ?
C19 C20 H20 . . 119.8(8) ?
C21 C20 H20 . . 119.7(8) ?
C22 C21 C20 . . 120.72(11) ?
C22 C21 H21 . . 119.1(8) ?
C20 C21 H21 . . 120.1(8) ?
C21 C22 C23 . . 120.01(11) ?
C21 C22 H22 . . 122.5(7) ?
C23 C22 H22 . . 117.4(7) ?
N3 C23 C22 . . 119.95(10) ?
N3 C23 C18 . . 120.75(9) ?
C22 C23 C18 . . 119.30(10) ?
N3 C24 O2 . . 120.23(9) ?
N3 C24 C25 . . 123.76(9) ?
O2 C24 C25 . . 116.00(9) ?
N4 C25 C24 . . 119.73(9) ?
N4 C25 C26 . . 117.14(9) ?
C24 C25 C26 . . 123.13(9) ?
C31 C26 C27 . . 118.68(10) ?
C31 C26 C25 . . 118.79(10) ?
C27 C26 C25 . . 122.38(10) ?
C28 C27 C26 . . 120.18(11) ?
C28 C27 H27 . . 119.9(7) ?
C26 C27 H27 . . 119.9(7) ?
C29 C28 C27 . . 120.44(11) ?
C29 C28 H28 . . 121.7(7) ?
C27 C28 H28 . . 117.8(7) ?
C28 C29 C30 . . 119.74(10) ?
C28 C29 H29 . . 121.6(7) ?
C30 C29 H29 . . 118.6(7) ?
C31 C30 C29 . . 120.03(11) ?
C31 C30 H30 . . 119.7(7) ?
C29 C30 H30 . . 120.3(7) ?
C30 C31 C26 . . 120.91(11) ?
C30 C31 H31 . . 122.1(7) ?
C26 C31 H31 . . 117.0(7) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
O1 C8 . 1.2309(12) ?
O2 C24 . 1.3484(12) ?
O2 C17 . 1.4509(12) ?
N1 C7 . 1.3007(12) ?
N1 C6 . 1.3841(13) ?
N2 C8 . 1.3804(13) ?
N2 C1 . 1.3922(12) ?
N2 C15 . 1.4748(13) ?
N3 C24 . 1.2987(12) ?
N3 C23 . 1.3722(13) ?
N4 C25 . 1.3102(13) ?
N4 C18 . 1.3721(13) ?
C1 C2 . 1.4005(15) ?
C1 C6 . 1.4057(15) ?
C2 C3 . 1.3766(16) ?
C2 H2 . 0.976(14) ?
C3 C4 . 1.3983(18) ?
C3 H3 . 0.980(15) ?
C4 C5 . 1.3743(17) ?
C4 H4 . 1.014(13) ?
C5 C6 . 1.4040(14) ?
C5 H5 . 0.982(14) ?
C7 C9 . 1.4881(15) ?
C7 C8 . 1.4907(14) ?
C9 C14 . 1.3964(14) ?
C9 C10 . 1.4068(15) ?
C10 C11 . 1.3822(17) ?
C10 H10 . 0.987(12) ?
C11 C12 . 1.3889(18) ?
C11 H11 . 0.979(16) ?
C12 C13 . 1.3803(16) ?
C12 H12 . 1.036(13) ?
C13 C14 . 1.3912(15) ?
C13 H13 . 0.991(13) ?
C14 H14 . 0.961(13) ?
C15 C16 . 1.5238(15) ?
C15 H15A . 1.005(12) ?
C15 H15B . 0.962(12) ?
C16 C17 . 1.5119(15) ?
C16 H16A . 0.997(13) ?
C16 H16B . 0.995(12) ?
C17 H17A . 0.976(13) ?
C17 H17B . 1.021(12) ?
C18 C19 . 1.4113(15) ?
C18 C23 . 1.4132(15) ?
C19 C20 . 1.3720(16) ?
C19 H19 . 0.987(14) ?
C20 C21 . 1.4031(18) ?
C20 H20 . 0.972(15) ?
C21 C22 . 1.3735(16) ?
C21 H21 . 0.972(13) ?
C22 C23 . 1.4057(14) ?
C22 H22 . 0.982(13) ?
C24 C25 . 1.4497(14) ?
C25 C26 . 1.4873(14) ?
C26 C31 . 1.3946(16) ?
C26 C27 . 1.3955(15) ?
C27 C28 . 1.3913(15) ?
C27 H27 . 0.980(13) ?
C28 C29 . 1.3828(17) ?
C28 H28 . 0.979(13) ?
C29 C30 . 1.3862(17) ?
C29 H29 . 1.025(13) ?
C30 C31 . 1.3834(15) ?
C30 H30 . 0.981(13) ?
C31 H31 . 0.978(13) ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
C14 H14 O1 . 0.961(14) 2.197(13) 2.8225(14) 121.7(10) y
C15 H15B O1 2_666 0.962(12) 2.503(12) 3.3484(13) 146.6(9) yes
C17 H17A N1 1_655 0.976(13) 2.581(13) 3.5523(14) 173.3(10) yes
C17 H17B O1 2_666 1.021(12) 2.568(13) 3.4700(15) 147.1(9) yes
C21 H21 O1 2_766 0.971(14) 2.404(14) 3.2166(15) 140.9(11) yes
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C8 N2 C1 C2 . . . . 176.79(10) ?
C15 N2 C1 C2 . . . . -5.61(16) ?
C8 N2 C1 C6 . . . . -3.17(15) ?
C15 N2 C1 C6 . . . . 174.43(9) ?
N2 C1 C2 C3 . . . . 176.76(10) ?
C6 C1 C2 C3 . . . . -3.29(17) ?
C1 C2 C3 C4 . . . . -0.84(19) ?
C2 C3 C4 C5 . . . . 2.87(19) ?
C3 C4 C5 C6 . . . . -0.71(18) ?
C7 N1 C6 C5 . . . . 178.67(9) ?
C7 N1 C6 C1 . . . . -2.17(15) ?
C4 C5 C6 N1 . . . . 175.80(10) ?
C4 C5 C6 C1 . . . . -3.38(16) ?
N2 C1 C6 N1 . . . . 6.18(15) ?
C2 C1 C6 N1 . . . . -173.78(10) ?
N2 C1 C6 C5 . . . . -174.66(9) ?
C2 C1 C6 C5 . . . . 5.38(15) ?
C6 N1 C7 C9 . . . . 174.31(9) ?
C6 N1 C7 C8 . . . . -4.74(15) ?
C1 N2 C8 O1 . . . . 176.52(9) ?
C15 N2 C8 O1 . . . . -1.21(14) ?
C1 N2 C8 C7 . . . . -3.15(14) ?
C15 N2 C8 C7 . . . . 179.12(9) ?
N1 C7 C8 O1 . . . . -172.29(10) ?
C9 C7 C8 O1 . . . . 8.70(16) ?
N1 C7 C8 N2 . . . . 7.37(15) ?
C9 C7 C8 N2 . . . . -171.65(9) ?
N1 C7 C9 C14 . . . . 173.29(10) ?
C8 C7 C9 C14 . . . . -7.66(16) ?
N1 C7 C9 C10 . . . . -8.94(15) ?
C8 C7 C9 C10 . . . . 170.12(10) ?
C14 C9 C10 C11 . . . . -0.34(18) ?
C7 C9 C10 C11 . . . . -178.26(11) ?
C9 C10 C11 C12 . . . . -0.3(2) ?
C10 C11 C12 C13 . . . . 0.6(2) ?
C11 C12 C13 C14 . . . . -0.34(18) ?
C12 C13 C14 C9 . . . . -0.27(18) ?
C10 C9 C14 C13 . . . . 0.60(16) ?
C7 C9 C14 C13 . . . . 178.38(10) ?
C8 N2 C15 C16 . . . . -81.23(11) ?
C1 N2 C15 C16 . . . . 101.04(11) y
N2 C15 C16 C17 . . . . 178.73(8) y
C24 O2 C17 C16 . . . . 179.54(8) y
C15 C16 C17 O2 . . . . 68.47(12) y
C25 N4 C18 C19 . . . . 176.17(10) ?
C25 N4 C18 C23 . . . . -1.52(15) ?
N4 C18 C19 C20 . . . . -177.53(10) ?
C23 C18 C19 C20 . . . . 0.19(17) ?
C18 C19 C20 C21 . . . . -0.02(18) ?
C19 C20 C21 C22 . . . . -0.04(18) ?
C20 C21 C22 C23 . . . . -0.08(18) ?
C24 N3 C23 C22 . . . . -176.01(9) ?
C24 N3 C23 C18 . . . . 3.45(15) ?
C21 C22 C23 N3 . . . . 179.71(10) ?
C21 C22 C23 C18 . . . . 0.24(16) ?
N4 C18 C23 N3 . . . . -2.09(16) ?
C19 C18 C23 N3 . . . . -179.76(9) ?
N4 C18 C23 C22 . . . . 177.37(9) ?
C19 C18 C23 C22 . . . . -0.30(16) ?
C23 N3 C24 O2 . . . . 179.55(9) ?
C23 N3 C24 C25 . . . . -1.49(15) ?
C17 O2 C24 N3 . . . . -2.55(14) y
C17 O2 C24 C25 . . . . 178.42(9) ?
C18 N4 C25 C24 . . . . 3.46(15) ?
C18 N4 C25 C26 . . . . -176.34(9) ?
N3 C24 C25 N4 . . . . -2.08(16) ?
O2 C24 C25 N4 . . . . 176.92(9) ?
N3 C24 C25 C26 . . . . 177.71(10) ?
O2 C24 C25 C26 . . . . -3.30(15) ?
N4 C25 C26 C31 . . . . -35.53(14) ?
C24 C25 C26 C31 . . . . 144.68(10) ?
N4 C25 C26 C27 . . . . 139.95(11) ?
C24 C25 C26 C27 . . . . -39.84(15) ?
C31 C26 C27 C28 . . . . -0.54(16) ?
C25 C26 C27 C28 . . . . -176.02(10) ?
C26 C27 C28 C29 . . . . -0.78(17) ?
C27 C28 C29 C30 . . . . 1.20(18) ?
C28 C29 C30 C31 . . . . -0.29(17) ?
C29 C30 C31 C26 . . . . -1.05(17) ?
C27 C26 C31 C30 . . . . 1.45(17) ?
C25 C26 C31 C30 . . . . 177.10(10) ?
